Cas no 779323-58-9 (6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine)

6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine structure
779323-58-9 structure
Product Name:6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine
CAS No:779323-58-9
MF:C13H11Cl2N3
MW:280.152540445328
MDL:MFCD08273925
CID:547945
PubChem ID:57345980
Update Time:2025-04-19

6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 6-Benzyl-2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
    • 2,4-Dichloro-6,7-dihydro-6-(benzyl)-5H-pyrrolo[3,4-d]pyriMidine
    • 5H-Pyrrolo[3,4-d]pyrimidine, 2,4-dichloro-6,7-dihydro-6-(phenylmethyl)-
    • AG-A-88933
    • AK103377
    • ANW-64850
    • CTK2H5453
    • PB22139
    • 6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine
    • DTXSID40721045
    • 779323-58-9
    • SY322423
    • AS-79201
    • AKOS016005250
    • 5H-Pyrrolo[3,4-d]pyrimidine,2,4-dichloro-6,7-dihydro-6-(phenylmethyl)-
    • MFCD08273925
    • 6-benzyl-2,4-dichloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine
    • CS-0050329
    • SCHEMBL1832111
    • FT-0698971
    • 6-BENZYL-2,4-DICHLORO-5H,7H-PYRROLO[3,4-D]PYRIMIDINE
    • DB-368982
    • MDL: MFCD08273925
    • Inchi: 1S/C13H11Cl2N3/c14-12-10-7-18(6-9-4-2-1-3-5-9)8-11(10)16-13(15)17-12/h1-5H,6-8H2
    • InChI Key: RZSMZEYQFCOUKN-UHFFFAOYSA-N
    • SMILES: ClC1=C2C(CN(CC3C=CC=CC=3)C2)=NC(=N1)Cl

Computed Properties

  • Exact Mass: 279.0330028g/mol
  • Monoisotopic Mass: 279.0330028g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 29?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.413±0.06 g/cm3 (20 oC 760 Torr)
  • Melting Point: Not available
  • Boiling Point: 396.5±42.0 °C at 760 mmHg
  • Flash Point: 193.6±27.9 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine Pricemore >>

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